SCHEMBL302595

SCHEMBL302595

Cc1ccc(C(N)=O)c(-n2ccnn2)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.46
EGLN2 Q96KS0 1/20 0.42
HCRTR1 O43613 10/20 0.40
HCRTR2 O43614 8/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5790843 0.87 NOTUM (0.47) NOTUMEGLN2HCRTR1HCRTR2CYP3A4
SCHEMBL1696198 0.84 NOTUM (0.47) NOTUMHCRTR1HCRTR2MAPK9MAPK10
SCHEMBL302446 0.78 HCRTR1 (0.46) NOTUMHCRTR1HCRTR2MAPK9MAPK10
SCHEMBL7919899 0.78 NOTUM (0.47) NOTUMEGLN2HCRTR1HCRTR2CYP3A4
SCHEMBL17910087 0.77 HCRTR1 (0.43) NOTUMHCRTR1HCRTR2MAPK9MAPK10
SCHEMBL15520028 0.77 NOTUM (0.50) NOTUMMAPK9MAPK10ALDH1A1
SCHEMBL29492035 0.76 HCRTR1 (0.41) NOTUMHCRTR1HCRTR2CYP3A4MAPK9
SCHEMBL29415179 0.76 DHODH (0.42) NOTUMHCRTR1HCRTR2MAPK9MAPK10
SCHEMBL302594 0.75 HCRTR1 (0.40) NOTUMHCRTR1HCRTR2MAPK9MAPK10
SCHEMBL16666145 0.73 NOTUM (0.46) NOTUMHCRTR1HCRTR2MAPK9MAPK10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4850824-B2 2012-01-11 JP claimed
EP-1725544-A1 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-11-29 EP claimed
WO-2005090333-A1 3-‘4-HETEROCYCLYL -1,2,3,-TRIAZOL-1-YL!-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-29 WO claimed
EP-1567507-A1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-08-31 EP claimed
WO-2004050642-A1 1, 2, 3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-06-17 WO claimed
EP-1567507-A1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-08-31 EP disclosed
WO-2004050642-A1 1, 2, 3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-06-17 WO disclosed